Electronic structure of CO - An exercise in modern chemical bonding theory

Gernot Frenking; Christoph Loschen; Andreas Krapp; F. A.U. Stefan; Steven H. Strauss

doi:10.1002/jcc.20477

Electronic structure of CO - An exercise in modern chemical bonding theory

Gernot Frenking, Christoph Loschen, Andreas Krapp, F. A.U. Stefan, Steven H. Strauss

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125 Scopus citations

Abstract

This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods. The new results are compared with standard models of chemical bonding. The electronic charge distribution and the dipole moment, the nature of the HOMO and the bond dissociation energy are discussed in detail.

Original language	English
Pages (from-to)	117-126
Number of pages	10
Journal	Journal of Computational Chemistry
Volume	28
Issue number	1
DOIs	https://doi.org/10.1002/jcc.20477
State	Published - 15 Jan 2007
Externally published	Yes

Keywords

Bonding analysis
Carbon monoxide
Dipole moment

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10.1002/jcc.20477

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abstract = "This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods. The new results are compared with standard models of chemical bonding. The electronic charge distribution and the dipole moment, the nature of the HOMO and the bond dissociation energy are discussed in detail.",

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AU - Loschen, Christoph

AU - Krapp, Andreas

AU - Stefan, F. A.U.

AU - Strauss, Steven H.

PY - 2007/1/15

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AB - This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods. The new results are compared with standard models of chemical bonding. The electronic charge distribution and the dipole moment, the nature of the HOMO and the bond dissociation energy are discussed in detail.

KW - Bonding analysis

KW - Carbon monoxide

KW - Dipole moment

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Electronic structure of CO - An exercise in modern chemical bonding theory

Abstract

Keywords

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